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(1'R,2'S,4'R)-2'-exo-Cyano-7'-oxabicyclo[2.2.1]hept-5'-en-2'-endo-yl (1S,5R,7S)-3-ethyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-exo-carboxylate

View entire compound with spectra: 1 MS (GC)

(1'R,2'S,4'R)-2'-exo-Cyano-7'-oxabicyclo[2.2.1]hept-5'-en-2'-endo-yl (1S,5R,7S)-3-ethyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-exo-carboxylate
SpectraBase Compound ID H9T9ZPXISCL
InChI InChI=1S/C15H16N2O6/c1-2-17-6-10-21-11(13(17)18)12(22-10)14(19)23-15(7-16)5-8-3-4-9(15)20-8/h3-4,8-12H,2,5-6H2,1H3/t8-,9+,10+,11-,12-,15-/m0/s1
InChIKey CGAYUXRSKGBWFD-BVNXLCDLSA-N
Mol Weight 320.3 g/mol
Molecular Formula C15H16N2O6
Exact Mass 320.100836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6kPf7GBmeLE
Name (1'R,2'S,4'R)-2'-exo-Cyano-7'-oxabicyclo[2.2.1]hept-5'-en-2'-endo-yl (1S,5R,7S)-3-ethyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-exo-carboxylate
Alternate Name(s) (1R,2S,4R)-2-cyano-7-oxabicyclo[2.2.1]hept-5-en-2-yl (1S,5R,7S)-3-ethyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate (1R,5S,6S)-3-ethyl-4-keto-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylic acid[(1R,4R,5S)-5-cyano-7-oxabicyclo[2.2.1]hept-2-en-5-yl]ester (1R,5S,6S)-3-ethyl-4-oxo-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylic acid[(1R,4R,5S)-5-cyano-7-oxabicyclo[2.2.1]hept-2-en-5-yl]ester [(1R,4R,5S)-5-cyano-7-oxabicyclo[2.2.1]hept-2-en-5-yl](1R,5S,6S)-3-ethyl-4-oxidanylidene-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylate [(1R,4R,5S)-5-cyano-7-oxabicyclo[2.2.1]hept-2-en-5-yl](1R,5S,6S)-3-ethyl-4-oxo-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylate (1R,5S,6S)-3-ethyl-4-oxo-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylic acid [(1R,4R,5S)-5-cyano-7-oxabicyclo[2.2.1]hept-2-en-5-yl] ester [(1R,4R,5S)-5-cyano-7-oxabicyclo[2.2.1]hept-2-en-5-yl] (1R,5S,6S)-3-ethyl-4-oxo-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylate [(1R,4R,5S)-5-cyano-7-oxabicyclo[2.2.1]hept-2-en-5-yl] (1R,5S,6S)-3-ethyl-4-oxidanylidene-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylate
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Formula C15H16N2O6
InChI InChI=1S/C15H16N2O6/c1-2-17-6-10-21-11(13(17)18)12(22-10)14(19)23-15(7-16)5-8-3-4-9(15)20-8/h3-4,8-12H,2,5-6H2,1H3/t8-,9+,10+,11-,12-,15-/m0/s1
InChIKey CGAYUXRSKGBWFD-BVNXLCDLSA-N
Molecular Weight 320.301 g/mol
SMILES [C@@]12([C@@](C(O[C@]3([C@@]4(O[C@](C3)(C=C4)[H])[H])C#N)=O)(O[C@@](O2)(CN(C1=O)CC)[H])[H])[H]
SPLASH splash10-0aor-9100000000-447b3d860e4214a87d45
Source of Spectrum QC-1-734-13
Wiley ID 882888